REMARK Name = LIG001358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.607 3.352 0.670 0.00 0.00 +0.173 C ATOM 2 N LIG 1 0.560 1.962 0.284 0.00 0.00 -0.266 N ATOM 3 C LIG 1 1.584 1.056 0.381 0.00 0.00 +0.069 A ATOM 4 C LIG 1 1.058 -0.139 -0.098 0.00 0.00 +0.025 A ATOM 5 C LIG 1 1.878 -1.285 -0.120 0.00 0.00 +0.034 A ATOM 6 C LIG 1 3.215 -1.195 0.289 0.00 0.00 +0.025 A ATOM 7 C LIG 1 3.691 0.009 0.813 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.291 0.163 -0.451 0.00 0.00 +0.083 A ATOM 9 C LIG 1 2.898 1.163 0.852 0.00 0.00 +0.030 A ATOM 10 N LIG 1 -0.580 1.452 -0.219 0.00 0.00 -0.175 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -1.307 -0.772 -1.043 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -1.721 -1.816 -0.021 0.00 0.00 +0.228 C ATOM 13 O LIG 1 -1.108 -2.873 0.132 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 -2.834 -1.548 0.737 0.00 0.00 -0.256 N ATOM 15 H LIG 1 -3.091 -2.272 1.394 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -3.831 -0.657 0.441 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -4.919 -0.719 1.010 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -3.520 0.397 -0.590 0.00 0.00 +0.097 C ATOM 19 C LIG 1 -2.554 -0.118 -1.648 0.00 0.00 +0.028 C ENDBRANCH 8 11 BRANCH 6 20 ATOM 20 N LIG 1 3.997 -2.354 0.380 0.00 0.00 -0.358 N ATOM 21 H LIG 1 3.716 -3.093 -0.258 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 4.997 -2.183 0.360 0.00 0.00 +0.142 HD ENDBRANCH 6 20 TORSDOF 2